SCHEMBL8252717

SCHEMBL8252717

COC(=O)C1=C(c2cccc3ccccc23)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.44
PDK4 Q16654 1/20 0.42
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
BACE1 P56817 1/20 0.41
ACHE P22303 1/20 0.41
ESR2 Q92731 1/20 0.41
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
CHRM5 P08912 2/20 0.40
MAPK1 P28482 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
UCHL1 P09936 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL951733 0.87 NR1H2 (0.47) NR1H2PDK4PARP1TNKS2PARP2
SCHEMBL8252709 0.85 PARP1 (0.44) NR1H2PDK4PARP1TNKS2PARP2
SCHEMBL8252151 0.84 NR1H2 (0.40) NR1H2PDK4PARP1TNKS2PARP2
SCHEMBL8247425 0.82 NR1H2 (0.42) NR1H2PDK4ESR2CHRM2CHRM4
SCHEMBL6418231 0.82 CHRM5 (0.59) NR1H2ESR2CHRM2CHRM4CHRM1
SCHEMBL8252006 0.81 SLC6A3 (0.58) NR1H2ESR2CHRM2CHRM4CHRM1
SCHEMBL8261717 0.80 CHRM2 (0.51) NR1H2ESR2CHRM2CHRM4CHRM1
SCHEMBL1751427 0.79 HTR6 (0.41) NR1H2PDK4ACHEESR2CHRM2
SCHEMBL13852160 0.78 SLC6A3 (0.48) NR1H2ESR2CHRM2CHRM4CHRM1
SCHEMBL8251539 0.78 SLC6A3 (0.49) NR1H2BACE1ESR2CHRM2CHRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 NR1H2 2535/4885PDK4 1046/4885PARP1 2330/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.